| CAS Number | 1823862-82-3 |
| Catalog Number | AG01CADG |
| Chemical Name | Tert-Butyl 3-Hydroxy-6,7-Dihydropyrazolo[1,5-A]Pyrazine-5(4H)-Carboxylate |
| IUPAC Name | tert-butyl 3-hydroxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate |
| InChI | InChI=1S/C11H17N3O3/c1-11(2,3)17-10(16)13-4-5-14-8(7-13)9(15)6-12-14/h6,15H,4-5,7H2,1-3H3 |
| InChI Key | QENZCIOPIXEGSR-UHFFFAOYSA-N |
| MDL Number | MFCD27997388 |
| Molecular Formula | C11H17N3O3 |
| Molecular Weight | 239.2710 |
| SMILES | CC(OC(N1CC2N(N=CC=2O)CC1)=O)(C)C |
| Synonyms | 1823862-82-3,
tert-Butyl 3-hydroxy-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate,
ZINC306136829,
tert-butyl 3-hydroxy-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.275g/mol |
| Monoisotopic Mass | 239.127g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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